N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine

C49H44N2 — CID 138671654

IUPACN-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)c3ccc4c(c3)C(C)(C)C3(C)C=CC=CC43)cc21
InChIInChI=1S/C49H44N2/c1-47(2)41-19-11-9-17-36(41)37-25-22-34(30-43(37)47)50(35-23-26-39-42-20-13-14-28-49(42,5)48(3,4)44(39)31-35)33-24-27-46-40(29-33)38-18-10-12-21-45(38)51(46)32-15-7-6-8-16-32/h6-31,38,42,45H,1-5H3
InChIKeyZWEGZWPPTPLOTK-UHFFFAOYSA-N
MW660.91 g/mol
LogP12.70
Rot. Bonds4

About N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine

N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine (PubChem CID 138671654) has the molecular formula C49H44N2 and a molecular weight of 660.91 g/mol. Its IUPAC name is N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine
PubChem CID138671654
Molecular FormulaC49H44N2
Molecular Weight660.91 g/mol
Exact Mass660.35
IUPAC NameN-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)c3ccc4c(c3)C(C)(C)C3(C)C=CC=CC43)cc21
InChIInChI=1S/C49H44N2/c1-47(2)41-19-11-9-17-36(41)37-25-22-34(30-43(37)47)50(35-23-26-39-42-20-13-14-28-49(42,5)48(3,4)44(39)31-35)33-24-27-46-40(29-33)38-18-10-12-21-45(38)51(46)32-15-7-6-8-16-32/h6-31,38,42,45H,1-5H3
InChIKeyZWEGZWPPTPLOTK-UHFFFAOYSA-N
XLogP12.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.91
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-[4-[9,9-dimethyl-7-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)fluoren-2-yl]phenyl]-9-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 137443923
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
N-(9,9-dimethylfluoren-2-yl)-4b-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-8aH-carbazol-3-amine
CID 166670977
N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine
CID 89196889
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine
CID 142725357
CID 88967344
CID 88967344
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]fluoren-2-amine
CID 129062191
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139551201

Frequently Asked Questions

What is the IUPAC name of N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine?
The IUPAC name of N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine (CID 138671654) is N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine.
What is the SMILES notation for N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine?
The canonical SMILES for N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)c3ccc4c(c3)C(C)(C)C3(C)C=CC=CC43)cc21.
What is the InChIKey of N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine?
The InChIKey is ZWEGZWPPTPLOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N2/c1-47(2)41-19-11-9-17-36(41)37-25-22-34(30-43(37)47)50(35-23-26-39-42-20-13-14-28-49(42,5)48(3,4)44(39)31-35)33-24-27-46-40(29-33)38-18-10-12-21-45(38)51(46)32-15-7-6-8-16-32/h6-31,38,42,45H,1-5H3.
What are the key properties of N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine?
N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine has a molecular weight of 660.91 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8a,9,9-trimethyl-4bH-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-4b,8a-dihydrocarbazol-3-amine is sourced from PubChem (CID 138671654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).