10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

C140H92N4 — CID 88555713

IUPAC10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2cc3c(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c(Nc4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C140H92N4/c1-137(2)129-83-99(143(97-72-66-93(67-73-97)90-38-11-5-12-39-90)101-75-79-111-109-49-22-31-58-126(109)140(132(111)85-101)123-55-28-19-46-106(123)107-47-20-29-56-124(107)140)76-80-112(129)115-86-118-116(87-130(115)137)135(141-94-68-62-91(63-69-94)88-34-7-3-8-35-88)113-81-77-98(82-117(113)136(118)144(95-40-13-6-14-41-95)133-61-33-60-128-134(133)114-50-23-32-59-127(114)138(128)119-51-24-15-42-102(119)103-43-16-25-52-120(103)138)142(96-70-64-92(65-71-96)89-36-9-4-10-37-89)100-74-78-110-108-48-21-30-57-125(108)139(131(110)84-100)121-53-26-17-44-104(121)105-45-18-27-54-122(105)139/h3-87,141H,1-2H3
InChIKeyMKRGZQWBRWAVSZ-UHFFFAOYSA-N
MW1830.30 g/mol
LogP36.48
Rot. Bonds14

About 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (PubChem CID 88555713) has the molecular formula C140H92N4 and a molecular weight of 1830.30 g/mol. Its IUPAC name is 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.

Molecular Properties

Compound Name10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
PubChem CID88555713
Molecular FormulaC140H92N4
Molecular Weight1830.30 g/mol
Exact Mass1828.73
IUPAC Name10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2cc3c(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c(Nc4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C140H92N4/c1-137(2)129-83-99(143(97-72-66-93(67-73-97)90-38-11-5-12-39-90)101-75-79-111-109-49-22-31-58-126(109)140(132(111)85-101)123-55-28-19-46-106(123)107-47-20-29-56-124(107)140)76-80-112(129)115-86-118-116(87-130(115)137)135(141-94-68-62-91(63-69-94)88-34-7-3-8-35-88)113-81-77-98(82-117(113)136(118)144(95-40-13-6-14-41-95)133-61-33-60-128-134(133)114-50-23-32-59-127(114)138(128)119-51-24-15-42-102(119)103-43-16-25-52-120(103)138)142(96-70-64-92(65-71-96)89-36-9-4-10-37-89)100-74-78-110-108-48-21-30-57-125(108)139(131(110)84-100)121-53-26-17-44-104(121)105-45-18-27-54-122(105)139/h3-87,141H,1-2H3
InChIKeyMKRGZQWBRWAVSZ-UHFFFAOYSA-N
XLogP36.48
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001830.30
LogP ≤ 536.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine with MolForge

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Related Compounds

CID 158813700
CID 158813700
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
23,23-dimethyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-amine
CID 155790988
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?
The IUPAC name of 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (CID 88555713) is 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.
What is the SMILES notation for 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?
The canonical SMILES for 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2cc3c(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c(Nc4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?
The InChIKey is MKRGZQWBRWAVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H92N4/c1-137(2)129-83-99(143(97-72-66-93(67-73-97)90-38-11-5-12-39-90)101-75-79-111-109-49-22-31-58-126(109)140(132(111)85-101)123-55-28-19-46-106(123)107-47-20-29-56-124(107)140)76-80-112(129)115-86-118-116(87-130(115)137)135(141-94-68-62-91(63-69-94)88-34-7-3-8-35-88)113-81-77-98(82-117(113)136(118)144(95-40-13-6-14-41-95)133-61-33-60-128-134(133)114-50-23-32-59-127(114)138(128)119-51-24-15-42-102(119)103-43-16-25-52-120(103)138)142(96-70-64-92(65-71-96)89-36-9-4-10-37-89)100-74-78-110-108-48-21-30-57-125(108)139(131(110)84-100)121-53-26-17-44-104(121)105-45-18-27-54-122(105)139/h3-87,141H,1-2H3.
What are the key properties of 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?
10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine has a molecular weight of 1830.30 g/mol, XLogP of 36.48, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-21-N-phenyl-7-N,14-N,18-N-tris(4-phenylphenyl)-7-N,18-N-bis(9,9'-spirobi[fluorene]-2-yl)-21-N-(9,9'-spirobi[fluorene]-4-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is sourced from PubChem (CID 88555713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).