4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C70H45N — CID 123195279

IUPAC4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc2c5c43)cc1
InChIInChI=1S/C70H45N/c1-6-20-48(21-7-1)69(49-22-8-2-9-23-49)61-32-18-16-30-55(61)57-36-34-46(44-63(57)69)53-40-42-65-67-59(53)38-39-60-54(41-43-66(68(60)67)71(65)52-28-14-5-15-29-52)47-35-37-58-56-31-17-19-33-62(56)70(64(58)45-47,50-24-10-3-11-25-50)51-26-12-4-13-27-51/h1-45H
InChIKeyVYBQAYCNGFCQNR-UHFFFAOYSA-N
MW900.14 g/mol
LogP17.43
Rot. Bonds7

About 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 123195279) has the molecular formula C70H45N and a molecular weight of 900.14 g/mol. Its IUPAC name is 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID123195279
Molecular FormulaC70H45N
Molecular Weight900.14 g/mol
Exact Mass899.36
IUPAC Name4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc2c5c43)cc1
InChIInChI=1S/C70H45N/c1-6-20-48(21-7-1)69(49-22-8-2-9-23-49)61-32-18-16-30-55(61)57-36-34-46(44-63(57)69)53-40-42-65-67-59(53)38-39-60-54(41-43-66(68(60)67)71(65)52-28-14-5-15-29-52)47-35-37-58-56-31-17-19-33-62(56)70(64(58)45-47,50-24-10-3-11-25-50)51-26-12-4-13-27-51/h1-45H
InChIKeyVYBQAYCNGFCQNR-UHFFFAOYSA-N
XLogP17.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.14
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene with MolForge

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Related Compounds

8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene
CID 164740425
4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline
CID 59211122
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
CID 129123678
4-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325889
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
2-[4-[6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 167257271
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212

Frequently Asked Questions

What is the IUPAC name of 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 123195279) is 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is c1ccc(-n2c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc2c5c43)cc1.
What is the InChIKey of 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is VYBQAYCNGFCQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N/c1-6-20-48(21-7-1)69(49-22-8-2-9-23-49)61-32-18-16-30-55(61)57-36-34-46(44-63(57)69)53-40-42-65-67-59(53)38-39-60-54(41-43-66(68(60)67)71(65)52-28-14-5-15-29-52)47-35-37-58-56-31-17-19-33-62(56)70(64(58)45-47,50-24-10-3-11-25-50)51-26-12-4-13-27-51/h1-45H.
What are the key properties of 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 900.14 g/mol, XLogP of 17.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 123195279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).