N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C74H52N2 — CID 144995204

IUPACN-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2c3ccccc3C(c3ccccc3)(c3ccc(N(c4ccc(C5=CC=C(n6c7ccccc7c7ccccc76)CC5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)C2C=C1
InChIInChI=1S/C74H52N2/c1-2-18-51(19-3-1)73(65-27-11-4-20-57(65)58-21-5-12-28-66(58)73)52-38-44-54(45-39-52)75(53-40-34-49(35-41-53)50-36-42-55(43-37-50)76-71-32-16-9-25-63(71)64-26-10-17-33-72(64)76)56-46-47-62-61-24-8-15-31-69(61)74(70(62)48-56)67-29-13-6-22-59(67)60-23-7-14-30-68(60)74/h1-36,38-42,44-48,57,65H,37,43H2
InChIKeyYRAFVXYEXLZOOH-UHFFFAOYSA-N
MW969.24 g/mol
LogP18.50
Rot. Bonds7

About N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 144995204) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID144995204
Molecular FormulaC74H52N2
Molecular Weight969.24 g/mol
Exact Mass968.41
IUPAC NameN-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=CC2c3ccccc3C(c3ccccc3)(c3ccc(N(c4ccc(C5=CC=C(n6c7ccccc7c7ccccc76)CC5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)C2C=C1
InChIInChI=1S/C74H52N2/c1-2-18-51(19-3-1)73(65-27-11-4-20-57(65)58-21-5-12-28-66(58)73)52-38-44-54(45-39-52)75(53-40-34-49(35-41-53)50-36-42-55(43-37-50)76-71-32-16-9-25-63(71)64-26-10-17-33-72(64)76)56-46-47-62-61-24-8-15-31-69(61)74(70(62)48-56)67-29-13-6-22-59(67)60-23-7-14-30-68(60)74/h1-36,38-42,44-48,57,65H,37,43H2
InChIKeyYRAFVXYEXLZOOH-UHFFFAOYSA-N
XLogP18.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.24
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166895529
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 71249474
N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
CID 146413961
N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 164778272
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 146658906
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 144995204) is N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is C1=CC2c3ccccc3C(c3ccccc3)(c3ccc(N(c4ccc(C5=CC=C(n6c7ccccc7c7ccccc76)CC5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)C2C=C1.
What is the InChIKey of N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is YRAFVXYEXLZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-2-18-51(19-3-1)73(65-27-11-4-20-57(65)58-21-5-12-28-66(58)73)52-38-44-54(45-39-52)75(53-40-34-49(35-41-53)50-36-42-55(43-37-50)76-71-32-16-9-25-63(71)64-26-10-17-33-72(64)76)56-46-47-62-61-24-8-15-31-69(61)74(70(62)48-56)67-29-13-6-22-59(67)60-23-7-14-30-68(60)74/h1-36,38-42,44-48,57,65H,37,43H2.
What are the key properties of N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 969.24 g/mol, XLogP of 18.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 144995204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).